# generated using pymatgen
data_Mn3Cr2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37433602
_cell_length_b   9.73388808
_cell_length_c   13.68814349
_cell_angle_alpha   103.41182395
_cell_angle_beta   90.00002597
_cell_angle_gamma   90.00012333
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Cr2H32C12(NO2)6
_chemical_formula_sum   'Mn6 Cr4 H64 C24 N12 O24'
_cell_volume   1214.96242138
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mn  Mn0  1  0.09422521  0.85630819  0.73051516  1
  Mn  Mn1  1  0.59422727  0.64368175  0.76948249  1
  Mn  Mn2  1  0.90578496  0.14368143  0.26947440  1
  Mn  Mn3  1  0.40578364  0.35633501  0.23052763  1
  Cr  Cr4  1  0.95354712  0.55321838  0.71945243  1
  Cr  Cr5  1  0.45354908  0.94677048  0.78055135  1
  Cr  Cr6  1  0.04645881  0.44678351  0.28055025  1
  Cr  Cr7  1  0.54644977  0.05323400  0.21944669  1
  Mn  Mn8  1  -0.00000689  1.00002111  0.99998852  1
  Mn  Mn9  1  0.49999197  0.49997882  0.50000927  1
  H  H10  1  0.18038362  0.19481267  0.09156982  1
  H  H11  1  0.68037697  0.30517557  0.40842423  1
  H  H12  1  0.81961475  0.80518879  0.90842240  1
  H  H13  1  0.31962447  0.69482131  0.59158447  1
  H  H14  1  0.26964428  0.09703015  0.99341146  1
  H  H15  1  0.76964005  0.40296714  0.50657787  1
  H  H16  1  0.73034279  0.90296412  0.00657339  1
  H  H17  1  0.23034605  0.59703833  0.49343907  1
  H  H18  1  0.52864134  0.46311570  0.88116106  1
  H  H19  1  0.02865125  0.03688476  0.61882836  1
  H  H20  1  0.47135860  0.53688410  0.11883242  1
  H  H21  1  0.97133831  0.96311122  0.38118784  1
  H  H22  1  0.54257609  0.22751541  0.89227239  1
  H  H23  1  0.04257956  0.27247873  0.60773297  1
  H  H24  1  0.45742436  0.77249115  0.10772849  1
  H  H25  1  0.95742880  0.72751930  0.39226869  1
  H  H26  1  0.77449432  0.03898442  0.84883612  1
  H  H27  1  0.27448140  0.46100859  0.65116637  1
  H  H28  1  0.22545590  0.96102253  0.15116642  1
  H  H29  1  0.72547916  0.53898721  0.34882962  1
  H  H30  1  0.92401203  0.11654311  0.80526226  1
  H  H31  1  0.42400774  0.38346744  0.69474488  1
  H  H32  1  0.07596518  0.88342832  0.19473910  1
  H  H33  1  0.57597962  0.61656290  0.30525111  1
  H  H34  1  0.21570955  0.32832566  0.96735897  1
  H  H35  1  0.71570791  0.17167197  0.53263811  1
  H  H36  1  0.78428218  0.67169828  0.03263939  1
  H  H37  1  0.28428516  0.82830254  0.46736232  1
  H  H38  1  0.15110270  0.18208342  0.87574305  1
  H  H39  1  0.65110557  0.31791698  0.62425366  1
  H  H40  1  0.84890501  0.81794138  0.12425068  1
  H  H41  1  0.34890053  0.68205386  0.37575267  1
  H  H42  1  0.58323836  0.39175531  0.06312166  1
  H  H43  1  0.08322638  0.10823015  0.43687216  1
  H  H44  1  0.41676155  0.60824451  0.93687511  1
  H  H45  1  0.91676589  0.89176088  0.56312794  1
  H  H46  1  0.74746437  0.43681161  0.00163334  1
  H  H47  1  0.24745690  0.06318119  0.49836080  1
  H  H48  1  0.25254151  0.56318478  0.99836717  1
  H  H49  1  0.75254468  0.93681870  0.50163580  1
  H  H50  1  0.79632708  0.26189652  0.10486968  1
  H  H51  1  0.29632282  0.23810016  0.39513526  1
  H  H52  1  0.20366426  0.73811510  0.89513603  1
  H  H53  1  0.70366660  0.76187898  0.60485863  1
  H  H54  1  0.68985207  0.13474359  0.02359874  1
  H  H55  1  0.18984308  0.36525047  0.47640692  1
  H  H56  1  0.31014282  0.86525623  0.97641102  1
  H  H57  1  0.81015070  0.63474499  0.52358172  1
  H  H58  1  0.79893585  0.33823498  0.81453138  1
  H  H59  1  0.29894538  0.16176615  0.68547668  1
  H  H60  1  0.20107562  0.66176226  0.18547367  1
  H  H61  1  0.70107503  0.83824149  0.31452116  1
  H  H62  1  0.69059746  0.19620100  0.75159463  1
  H  H63  1  0.19060277  0.30379177  0.74841534  1
  H  H64  1  0.30940216  0.80381082  0.24840564  1
  H  H65  1  0.80940731  0.69620168  0.25158740  1
  H  H66  1  0.98233065  0.35920079  0.05289303  1
  H  H67  1  0.48232238  0.14079717  0.44711026  1
  H  H68  1  0.01766212  0.64079795  0.94710275  1
  H  H69  1  0.51767057  0.85920066  0.55289214  1
  H  H70  1  0.96877789  0.36912124  0.92356828  1
  H  H71  1  0.46877745  0.13087750  0.57643504  1
  H  H72  1  0.03118856  0.63086999  0.07642799  1
  H  H73  1  0.53118863  0.86912754  0.42356635  1
  C  C74  1  0.83278597  0.13852824  0.85609841  1
  C  C75  1  0.33278450  0.36147190  0.64390706  1
  C  C76  1  0.16719379  0.86146530  0.14390269  1
  C  C77  1  0.66720269  0.63853618  0.35609095  1
  C  C78  1  0.13949168  0.24016624  0.95402562  1
  C  C79  1  0.63949041  0.25983132  0.54597213  1
  C  C80  1  0.86050682  0.75985072  0.04596925  1
  C  C81  1  0.36050819  0.74014874  0.45403236  1
  C  C82  1  0.67819141  0.34455038  0.99704353  1
  C  C83  1  0.17818699  0.15544227  0.50295501  1
  C  C84  1  0.32180983  0.65544964  0.00295498  1
  C  C85  1  0.82181290  0.84455484  0.49704615  1
  C  C86  1  0.75916507  0.22680267  0.02757762  1
  C  C87  1  0.25916294  0.27319570  0.47242706  1
  C  C88  1  0.24082624  0.77319915  0.97242808  1
  C  C89  1  0.74082881  0.72679906  0.52756670  1
  C  C90  1  0.73593723  0.24734299  0.82458220  1
  C  C91  1  0.23594038  0.25265505  0.67542309  1
  C  C92  1  0.26406142  0.75266117  0.17541828  1
  C  C93  1  0.76406554  0.74734495  0.32457722  1
  C  C94  1  0.98976561  0.29871586  0.97450945  1
  C  C95  1  0.48976230  0.20128273  0.52549359  1
  C  C96  1  0.01022498  0.70128348  0.02548637  1
  C  C97  1  0.51022914  0.79871465  0.47450871  1
  N  N98  1  0.88276085  0.18338451  0.96085196  1
  N  N99  1  0.38275823  0.31661493  0.53915349  1
  N  N100  1  0.11723193  0.81660686  0.03915099  1
  N  N101  1  0.61723612  0.68339108  0.46084132  1
  N  N102  1  0.17276413  0.14137347  0.01743897  1
  N  N103  1  0.67275926  0.35862098  0.48255441  1
  N  N104  1  0.82723323  0.85864350  0.98255117  1
  N  N105  1  0.32723764  0.64136187  0.51745643  1
  N  N106  1  0.62228231  0.30144724  0.89671985  1
  N  N107  1  0.12228182  0.19854564  0.60328030  1
  N  N108  1  0.37771847  0.69855791  0.10327994  1
  N  N109  1  0.87772150  0.80145044  0.39672044  1
  O  O110  1  0.04835410  0.92821059  0.86936981  1
  O  O111  1  0.54839751  0.57180868  0.63061856  1
  O  O112  1  0.95180580  0.07170120  0.13065072  1
  O  O113  1  0.45173624  0.42829088  0.36936258  1
  O  O114  1  -0.00891584  0.94569913  0.62914678  1
  O  O115  1  0.49106410  0.55429768  0.87084970  1
  O  O116  1  1.00888919  0.05430316  0.37086744  1
  O  O117  1  0.50892793  0.44569661  0.12913636  1
  O  O118  1  0.89693099  0.41259728  0.63624567  1
  O  O119  1  0.39693086  0.08738297  0.86376370  1
  O  O120  1  0.10306498  0.58739824  0.36376691  1
  O  O121  1  0.60305506  0.91262576  0.13622197  1
  O  O122  1  0.05712802  0.64896479  0.65856689  1
  O  O123  1  0.55712909  0.85101896  0.84143401  1
  O  O124  1  0.94286345  0.35102974  0.34142023  1
  O  O125  1  0.44286640  0.14900095  0.15857844  1
  O  O126  1  0.31486349  0.84657620  0.72348966  1
  O  O127  1  0.81486076  0.65341674  0.77650771  1
  O  O128  1  0.68514982  0.15341400  0.27649987  1
  O  O129  1  0.18515664  0.34658707  0.22351054  1
  O  O130  1  0.04882948  0.50303259  0.80533925  1
  O  O131  1  0.54883648  0.99696291  0.69466998  1
  O  O132  1  0.95119603  0.49696959  0.19465284  1
  O  O133  1  0.45116811  0.00304500  0.30533241  1
